N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide

C14H19N3O4 — CID 62178015

IUPACN-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)C1CC1
InChIInChI=1S/C14H19N3O4/c1-2-15-13-6-5-11(17(20)21)9-12(13)14(19)16(7-8-18)10-3-4-10/h5-6,9-10,15,18H,2-4,7-8H2,1H3
InChIKeyUKDSCPLZTNDNNS-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.62
Rot. Bonds7

About N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide

N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide (PubChem CID 62178015) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
PubChem CID62178015
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)C1CC1
InChIInChI=1S/C14H19N3O4/c1-2-15-13-6-5-11(17(20)21)9-12(13)14(19)16(7-8-18)10-3-4-10/h5-6,9-10,15,18H,2-4,7-8H2,1H3
InChIKeyUKDSCPLZTNDNNS-UHFFFAOYSA-N
XLogP1.62
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 102870405
N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
CID 62168899
2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 102861545
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
CID 62167944
2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide
CID 82734470
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
CID 62170102
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 60732997

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide?
The IUPAC name of N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide (CID 62178015) is N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide is CCNc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide?
The InChIKey is UKDSCPLZTNDNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-15-13-6-5-11(17(20)21)9-12(13)14(19)16(7-8-18)10-3-4-10/h5-6,9-10,15,18H,2-4,7-8H2,1H3.
What are the key properties of N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide?
N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide is sourced from PubChem (CID 62178015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).